3-(dimethylamino)-N-[3-(dimethylamino)-3-oxopropyl]-5-(4-fluoro-3-methoxyphenyl)-1,2-oxazole-4-carboxamide

C18H23FN4O4 — CID 135090287

About 3-(dimethylamino)-N-[3-(dimethylamino)-3-oxopropyl]-5-(4-fluoro-3-methoxyphenyl)-1,2-oxazole-4-carboxamide

3-(dimethylamino)-N-[3-(dimethylamino)-3-oxopropyl]-5-(4-fluoro-3-methoxyphenyl)-1,2-oxazole-4-carboxamide (PubChem CID 135090287) has the molecular formula C18H23FN4O4 and a molecular weight of 378.40 g/mol. Its IUPAC name is 3-(dimethylamino)-N-[3-(dimethylamino)-3-oxopropyl]-5-(4-fluoro-3-methoxyphenyl)-1,2-oxazole-4-carboxamide.

Molecular Properties

• Compound Name: 3-(dimethylamino)-N-[3-(dimethylamino)-3-oxopropyl]-5-(4-fluoro-3-methoxyphenyl)-1,2-oxazole-4-carboxamide
• PubChem CID: 135090287
• Molecular Formula: C18H23FN4O4
• Molecular Weight: 378.40 g/mol
• Exact Mass: 378.17
• IUPAC Name: 3-(dimethylamino)-N-[3-(dimethylamino)-3-oxopropyl]-5-(4-fluoro-3-methoxyphenyl)-1,2-oxazole-4-carboxamide
• SMILES: COc1cc(-c2onc(N(C)C)c2C(=O)NCCC(=O)N(C)C)ccc1F
• InChI: InChI=1S/C18H23FN4O4/c1-22(2)14(24)8-9-20-18(25)15-16(27-21-17(15)23(3)4)11-6-7-12(19)13(10-11)26-5/h6-7,10H,8-9H2,1-5H3,(H,20,25)
• InChIKey: AZRDZQNNTMNJSJ-UHFFFAOYSA-N
• XLogP: 1.76
• TPSA: 87.91 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	378.40
LogP ≤ 5	1.76
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-N-[3-(dimethylamino)-3-oxopropyl]-5-(4-fluoro-3-methoxyphenyl)-1,2-oxazole-4-carboxamide?

The IUPAC name of 3-(dimethylamino)-N-[3-(dimethylamino)-3-oxopropyl]-5-(4-fluoro-3-methoxyphenyl)-1,2-oxazole-4-carboxamide (CID 135090287) is 3-(dimethylamino)-N-[3-(dimethylamino)-3-oxopropyl]-5-(4-fluoro-3-methoxyphenyl)-1,2-oxazole-4-carboxamide.

What is the SMILES notation for 3-(dimethylamino)-N-[3-(dimethylamino)-3-oxopropyl]-5-(4-fluoro-3-methoxyphenyl)-1,2-oxazole-4-carboxamide?

The canonical SMILES for 3-(dimethylamino)-N-[3-(dimethylamino)-3-oxopropyl]-5-(4-fluoro-3-methoxyphenyl)-1,2-oxazole-4-carboxamide is COc1cc(-c2onc(N(C)C)c2C(=O)NCCC(=O)N(C)C)ccc1F.

What is the InChIKey of 3-(dimethylamino)-N-[3-(dimethylamino)-3-oxopropyl]-5-(4-fluoro-3-methoxyphenyl)-1,2-oxazole-4-carboxamide?

The InChIKey is AZRDZQNNTMNJSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN4O4/c1-22(2)14(24)8-9-20-18(25)15-16(27-21-17(15)23(3)4)11-6-7-12(19)13(10-11)26-5/h6-7,10H,8-9H2,1-5H3,(H,20,25).

What are the key properties of 3-(dimethylamino)-N-[3-(dimethylamino)-3-oxopropyl]-5-(4-fluoro-3-methoxyphenyl)-1,2-oxazole-4-carboxamide?

3-(dimethylamino)-N-[3-(dimethylamino)-3-oxopropyl]-5-(4-fluoro-3-methoxyphenyl)-1,2-oxazole-4-carboxamide has a molecular weight of 378.40 g/mol, XLogP of 1.76, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(dimethylamino)-N-[3-(dimethylamino)-3-oxopropyl]-5-(4-fluoro-3-methoxyphenyl)-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 135090287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).